ChemSpider 2D Image | (1r,3R,5S)-3,5-Diaminocyclohexanol | C6H14N2O

(1r,3R,5S)-3,5-Diaminocyclohexanol

  • Molecular FormulaC6H14N2O
  • Average mass130.188 Da
  • Monoisotopic mass130.110611 Da
  • ChemSpider ID32969596

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1r,3R,5S)-3,5-Diaminocyclohexanol [German] [ACD/IUPAC Name]
(1r,3R,5S)-3,5-Diaminocyclohexanol [ACD/IUPAC Name]
(1r,3R,5S)-3,5-Diaminocyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 3,5-diamino-, (1β,3α,5α)- [ACD/Index Name]
799269-33-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 244.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.0±6.0 kJ/mol
Flash Point: 101.8±27.3 °C
Index of Refraction: 1.525
Molar Refractivity: 36.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -5.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 14.4±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 118.6±3.0 cm3

Click to predict properties on the Chemicalize site


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